Solvent effects on the decarboxylation of trichloroacetic acid: insights from ab initio molecular dynamics simulations

Author:

da Silva Guilherme C. Q.1234ORCID,Cardozo Thiago M.1234,Amarante Giovanni W.5674,Abreu Charlles R. A.824ORCID,Horta Bruno A. C.1234ORCID

Affiliation:

1. Instituto de Química

2. Universidade Federal do Rio de Janeiro

3. Salas 408 e 609

4. Brazil

5. Departamento de Química

6. Universidade Federal de Juiz de Fora

7. Juiz de Fora

8. Escola de Química

Abstract

The kinetics of trichloroacetic acid (TCA) decarboxylation strongly depends on the solvent in which it occurs, proceeding faster in polar aprotic solvents compared to protic solvents.

Funder

Fundação Carlos Chagas Filho de Amparo à Pesquisa do Estado do Rio de Janeiro

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Fundação de Amparo à Pesquisa do Estado de Minas Gerais

Universidade Federal do Rio de Janeiro

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference67 articles.

1. IARC , Trichloroethylene, tetrachloroethylene, and some other chlorinated agents , International agency for research on cancer – world health organization technical report , 2014

2. External Genital Warts: Diagnosis, Treatment, and Prevention

3. Fluxes of trichloroacetic acid between atmosphere, biota, soil, and groundwater

4. The Fate of the Haloacetates in Drinking WaterChemical Kinetics in Aqueous Solution

5. E. D. Morris and J. C.Bost , Acetic Acid, Halogenated Derivatives , 2000

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